Iranian Journal of Ceramic Science & Engineering
Volume 12, Issue 1 (spring 2023)
2023, 12(1): 1-11 |
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salehi H, Ebrahimi N. Ab-initio Calculation of Structural and Electronic Properties of Topological Insulator SnBi2Te4. Iranian Journal of Ceramic Science & Engineering 2023; 12 (1) :1-11
URL: http://ijcse.ir/article-1-914-en.html
URL: http://ijcse.ir/article-1-914-en.html
1- Shahid Chamran University of Ahvaz , salehi_h@scu.ac.ir
2- Shahid Chamran University of Ahvaz
2- Shahid Chamran University of Ahvaz
Abstract: (1461 Views)
We report the electronic, structural and optical properties of topological insulator SnBi2Te4 calculated by means of linear augmented plane waves with full potential (FP-LAPW) within the framework of density functional theory (DFT) implemented in Wien2k code. Bulk band gaps of 0.36eV and 0.22eV are predicted by using PBE and LDA approximations, respectively. These gaps indicated that SnBi2Te4 is potentially suitable for room temperature electronics applications. The results are in accordance with other works.
Type of Study: Research |
Subject:
Ceramics used in the Environment, Water and Energy
Received: 2022/09/2 | Accepted: 2023/12/18
Received: 2022/09/2 | Accepted: 2023/12/18
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